CONFLIST FAR        FARBK FAR01 FAR+1 

NATOM    FARBK      0
NATOM    FAR01      52
NATOM    FAR+1      51

IATOM    FAR01  C11 0
IATOM    FAR01  O11 1
IATOM    FAR01  C12 2
IATOM    FAR01  C13 3
IATOM    FAR01  C14 4
IATOM    FAR01  C15 5
IATOM    FAR01  C16 6
IATOM    FAR01  C17 7
IATOM    FAR01  C18 8
IATOM    FAR01  C19 9
IATOM    FAR01  C20 10
IATOM    FAR01  C21 11
IATOM    FAR01  C22 12
IATOM    FAR01  C23 13
IATOM    FAR01  C24 14
IATOM    FAR01  C25 15
IATOM    FAR01  C26 16
IATOM    FAR01  C27 17
IATOM    FAR01  H11 18
IATOM    FAR01  HO1 19
IATOM    FAR01 1H12 20
IATOM    FAR01 2H12 21
IATOM    FAR01 1H13 22
IATOM    FAR01 2H13 23
IATOM    FAR01  H14 24
IATOM    FAR01 1H16 25
IATOM    FAR01 2H16 26
IATOM    FAR01 1H17 27
IATOM    FAR01 2H17 28
IATOM    FAR01  H18 29
IATOM    FAR01 1H20 30
IATOM    FAR01 2H20 31
IATOM    FAR01 1H21 32
IATOM    FAR01 2H21 33
IATOM    FAR01  H22 34
IATOM    FAR01 1H24 35
IATOM    FAR01 2H24 36
IATOM    FAR01 3H24 37
IATOM    FAR01 1H25 38
IATOM    FAR01 2H25 39
IATOM    FAR01 3H25 40
IATOM    FAR01 1H26 41
IATOM    FAR01 2H26 42
IATOM    FAR01 3H26 43
IATOM    FAR01 1H27 44
IATOM    FAR01 2H27 45
IATOM    FAR01 3H27 46
IATOM    FAR01  C28 47
IATOM    FAR01  C29 48
IATOM    FAR01  C30 49
IATOM    FAR01  C31 50
IATOM    FAR01  C32 51
IATOM    FAR+1  C11 0
IATOM    FAR+1  O11 1
IATOM    FAR+1  C12 2
IATOM    FAR+1  C13 3
IATOM    FAR+1  C14 4
IATOM    FAR+1  C15 5
IATOM    FAR+1  C16 6
IATOM    FAR+1  C17 7
IATOM    FAR+1  C18 8
IATOM    FAR+1  C19 9
IATOM    FAR+1  C20 10
IATOM    FAR+1  C21 11
IATOM    FAR+1  C22 12
IATOM    FAR+1  C23 13
IATOM    FAR+1  C24 14
IATOM    FAR+1  C25 15
IATOM    FAR+1  C26 16
IATOM    FAR+1  C27 17
IATOM    FAR+1  H11 18
IATOM    FAR+1 1H12 19
IATOM    FAR+1 2H12 20
IATOM    FAR+1 1H13 21
IATOM    FAR+1 2H13 22
IATOM    FAR+1  H14 23
IATOM    FAR+1 1H16 24
IATOM    FAR+1 2H16 25
IATOM    FAR+1 1H17 26
IATOM    FAR+1 2H17 27
IATOM    FAR+1  H18 28
IATOM    FAR+1 1H20 29
IATOM    FAR+1 2H20 30
IATOM    FAR+1 1H21 31
IATOM    FAR+1 2H21 32
IATOM    FAR+1  H22 33
IATOM    FAR+1 1H24 34
IATOM    FAR+1 2H24 35
IATOM    FAR+1 3H24 36
IATOM    FAR+1 1H25 37
IATOM    FAR+1 2H25 38
IATOM    FAR+1 3H25 39
IATOM    FAR+1 1H26 40
IATOM    FAR+1 2H26 41
IATOM    FAR+1 3H26 42
IATOM    FAR+1 1H27 43
IATOM    FAR+1 2H27 44
IATOM    FAR+1 3H27 45
IATOM    FAR+1  C28 46
IATOM    FAR+1  C29 47
IATOM    FAR+1  C30 48
IATOM    FAR+1  C31 49
IATOM    FAR+1  C32 50

ATOMNAME FAR01    0  C11
ATOMNAME FAR01    1  O11
ATOMNAME FAR01    2  C12
ATOMNAME FAR01    3  C13
ATOMNAME FAR01    4  C14
ATOMNAME FAR01    5  C15
ATOMNAME FAR01    6  C16
ATOMNAME FAR01    7  C17
ATOMNAME FAR01    8  C18
ATOMNAME FAR01    9  C19
ATOMNAME FAR01   10  C20
ATOMNAME FAR01   11  C21
ATOMNAME FAR01   12  C22
ATOMNAME FAR01   13  C23
ATOMNAME FAR01   14  C24
ATOMNAME FAR01   15  C25
ATOMNAME FAR01   16  C26
ATOMNAME FAR01   17  C27
ATOMNAME FAR01   18  H11
ATOMNAME FAR01   19  HO1
ATOMNAME FAR01   20 1H12
ATOMNAME FAR01   21 2H12
ATOMNAME FAR01   22 1H13
ATOMNAME FAR01   23 2H13
ATOMNAME FAR01   24  H14
ATOMNAME FAR01   25 1H16
ATOMNAME FAR01   26 2H16
ATOMNAME FAR01   27 1H17
ATOMNAME FAR01   28 2H17
ATOMNAME FAR01   29  H18
ATOMNAME FAR01   30 1H20
ATOMNAME FAR01   31 2H20
ATOMNAME FAR01   32 1H21
ATOMNAME FAR01   33 2H21
ATOMNAME FAR01   34  H22
ATOMNAME FAR01   35 1H24
ATOMNAME FAR01   36 2H24
ATOMNAME FAR01   37 3H24
ATOMNAME FAR01   38 1H25
ATOMNAME FAR01   39 2H25
ATOMNAME FAR01   40 3H25
ATOMNAME FAR01   41 1H26
ATOMNAME FAR01   42 2H26
ATOMNAME FAR01   43 3H26
ATOMNAME FAR01   44 1H27
ATOMNAME FAR01   45 2H27
ATOMNAME FAR01   46 3H27
ATOMNAME FAR01   47  C28
ATOMNAME FAR01   48  C29
ATOMNAME FAR01   49  C30
ATOMNAME FAR01   50  C31
ATOMNAME FAR01   51  C32
ATOMNAME FAR+1    0  C11
ATOMNAME FAR+1    1  O11
ATOMNAME FAR+1    2  C12
ATOMNAME FAR+1    3  C13
ATOMNAME FAR+1    4  C14
ATOMNAME FAR+1    5  C15
ATOMNAME FAR+1    6  C16
ATOMNAME FAR+1    7  C17
ATOMNAME FAR+1    8  C18
ATOMNAME FAR+1    9  C19
ATOMNAME FAR+1   10  C20
ATOMNAME FAR+1   11  C21
ATOMNAME FAR+1   12  C22
ATOMNAME FAR+1   13  C23
ATOMNAME FAR+1   14  C24
ATOMNAME FAR+1   15  C25
ATOMNAME FAR+1   16  C26
ATOMNAME FAR+1   17  C27
ATOMNAME FAR+1   18  H11
ATOMNAME FAR+1   19 1H12
ATOMNAME FAR+1   20 2H12
ATOMNAME FAR+1   21 1H13
ATOMNAME FAR+1   22 2H13
ATOMNAME FAR+1   23  H14
ATOMNAME FAR+1   24 1H16
ATOMNAME FAR+1   25 2H16
ATOMNAME FAR+1   26 1H17
ATOMNAME FAR+1   27 2H17
ATOMNAME FAR+1   28  H18
ATOMNAME FAR+1   29 1H20
ATOMNAME FAR+1   30 2H20
ATOMNAME FAR+1   31 1H21
ATOMNAME FAR+1   32 2H21
ATOMNAME FAR+1   33  H22
ATOMNAME FAR+1   34 1H24
ATOMNAME FAR+1   35 2H24
ATOMNAME FAR+1   36 3H24
ATOMNAME FAR+1   37 1H25
ATOMNAME FAR+1   38 2H25
ATOMNAME FAR+1   39 3H25
ATOMNAME FAR+1   40 1H26
ATOMNAME FAR+1   41 2H26
ATOMNAME FAR+1   42 3H26
ATOMNAME FAR+1   43 1H27
ATOMNAME FAR+1   44 2H27
ATOMNAME FAR+1   45 3H27
ATOMNAME FAR+1   46  C28
ATOMNAME FAR+1   47  C29
ATOMNAME FAR+1   48  C30
ATOMNAME FAR+1   49  C31
ATOMNAME FAR+1   50  C32









#1.Basic Conformer Information: name, pka, em, rxn.

#23456789A123456789B123456789C
PROTON   FAR01      0 
PKA      FAR01      0.0
ELECTRON FAR01      0 
EM       FAR01      0.0
RXN      FAR01      0.0

PROTON   FAR+1      0  
PKA      FAR+1      0.0
ELECTRON FAR+1      0 
EM       FAR+1      0.0
RXN      FAR+1      0.0

#2.Structure Connectivity

#23456789A123456789B123456789C123456789D123456789E123456789F123456789G
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
#ONNECT   conf atom  orbital  ires conn ires conn ires conn ires conn
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|----|----|
CONNECT  FAR01  C11 sp3       -3    C3B 0     O11 0     C12 0     H11 
CONNECT  FAR01  O11 sp3       0     C11 0     HO1 
CONNECT  FAR01  C12 sp3       0     C11 0     C13 0    1H12 0    2H12 
CONNECT  FAR01  C13 sp3       0     C12 0     C14 0    1H13 0    2H13 
CONNECT  FAR01  C14 sp2       0     C13 0     C15 0     H14 
CONNECT  FAR01  C15 sp2       0     C14 0     C16 0     C26 
CONNECT  FAR01  C16 sp3       0     C15 0     C17 0    1H16 0    2H16 
CONNECT  FAR01  C17 sp3       0     C16 0     C18 0    1H17 0    2H17 
CONNECT  FAR01  C18 sp2       0     C17 0     C19 0     H18 
CONNECT  FAR01  C19 sp2       0     C18 0     C20 0     C27 
CONNECT  FAR01  C20 sp3       0     C19 0     C21 0    1H20 0    2H20 
CONNECT  FAR01  C21 sp3       0     C20 0     C22 0    1H21 0    2H21 
CONNECT  FAR01  C22 sp2       0     C21 0     C23 0     H22 
CONNECT  FAR01  C23 sp2       0     C22 0     C24 0     C25 
CONNECT  FAR01  C24 sp3       0     C23 0    1H24 0    2H24 0    3H24 
CONNECT  FAR01  C25 sp3       0     C23 0    1H25 0    2H25 0    3H25 
CONNECT  FAR01  C26 sp3       0     C15 0    1H26 0    2H26 0    3H26 
CONNECT  FAR01  C27 sp3       0     C19 0    1H27 0    2H27 0    3H27 
CONNECT  FAR01  H11 s         0     C11 
CONNECT  FAR01  HO1 s         0     O11 
CONNECT  FAR01 1H12 s         0     C12 
CONNECT  FAR01 2H12 s         0     C12 
CONNECT  FAR01 1H13 s         0     C13 
CONNECT  FAR01 2H13 s         0     C13 
CONNECT  FAR01  H14 s         0     C14 
CONNECT  FAR01 1H16 s         0     C16 
CONNECT  FAR01 2H16 s         0     C16 
CONNECT  FAR01 1H17 s         0     C17 
CONNECT  FAR01 2H17 s         0     C17 
CONNECT  FAR01  H18 s         0     C18 
CONNECT  FAR01 1H20 s         0     C20 
CONNECT  FAR01 2H20 s         0     C20 
CONNECT  FAR01 1H21 s         0     C21 
CONNECT  FAR01 2H21 s         0     C21 
CONNECT  FAR01  H22 s         0     C22 
CONNECT  FAR01 1H24 s         0     C24 
CONNECT  FAR01 2H24 s         0     C24 
CONNECT  FAR01 3H24 s         0     C24 
CONNECT  FAR01 1H25 s         0     C25 
CONNECT  FAR01 2H25 s         0     C25 
CONNECT  FAR01 3H25 s         0     C25 
CONNECT  FAR01 1H26 s         0     C26 
CONNECT  FAR01 2H26 s         0     C26 
CONNECT  FAR01 3H26 s         0     C26 
CONNECT  FAR01 1H27 s         0     C27 
CONNECT  FAR01 2H27 s         0     C27 
CONNECT  FAR01 3H27 s         0     C27
CONNECT  FAR01  C28 s
CONNECT  FAR01  C29 s
CONNECT  FAR01  C30 s
CONNECT  FAR01  C31 s
CONNECT  FAR01  C32 s
 

CONNECT  FAR+1  C11 sp3       -3    C3B 0     O11 0     C12 0     H11
CONNECT  FAR+1  O11 sp3       0     C11 
CONNECT  FAR+1  C12 sp3       0     C11 0     C13 0    1H12 0    2H12
CONNECT  FAR+1  C13 sp3       0     C12 0     C14 0    1H13 0    2H13
CONNECT  FAR+1  C14 sp2       0     C13 0     C15 0     H14
CONNECT  FAR+1  C15 sp2       0     C14 0     C16 0     C26
CONNECT  FAR+1  C16 sp3       0     C15 0     C17 0    1H16 0    2H16
CONNECT  FAR+1  C17 sp3       0     C16 0     C18 0    1H17 0    2H17
CONNECT  FAR+1  C18 sp2       0     C17 0     C19 0     H18
CONNECT  FAR+1  C19 sp2       0     C18 0     C20 0     C27
CONNECT  FAR+1  C20 sp3       0     C19 0     C21 0    1H20 0    2H20
CONNECT  FAR+1  C21 sp3       0     C20 0     C22 0    1H21 0    2H21
CONNECT  FAR+1  C22 sp2       0     C21 0     C23 0     H22
CONNECT  FAR+1  C23 sp2       0     C22 0     C24 0     C25
CONNECT  FAR+1  C24 sp3       0     C23 0    1H24 0    2H24 0    3H24
CONNECT  FAR+1  C25 sp3       0     C23 0    1H25 0    2H25 0    3H25
CONNECT  FAR+1  C26 sp3       0     C15 0    1H26 0    2H26 0    3H26
CONNECT  FAR+1  C27 sp3       0     C19 0    1H27 0    2H27 0    3H27
CONNECT  FAR+1  H11 s         0     C11
CONNECT  FAR+1 1H12 s         0     C12
CONNECT  FAR+1 2H12 s         0     C12
CONNECT  FAR+1 1H13 s         0     C13
CONNECT  FAR+1 2H13 s         0     C13
CONNECT  FAR+1  H14 s         0     C14
CONNECT  FAR+1 1H16 s         0     C16
CONNECT  FAR+1 2H16 s         0     C16
CONNECT  FAR+1 1H17 s         0     C17
CONNECT  FAR+1 2H17 s         0     C17
CONNECT  FAR+1  H18 s         0     C18
CONNECT  FAR+1 1H20 s         0     C20
CONNECT  FAR+1 2H20 s         0     C20
CONNECT  FAR+1 1H21 s         0     C21
CONNECT  FAR+1 2H21 s         0     C21
CONNECT  FAR+1  H22 s         0     C22
CONNECT  FAR+1 1H24 s         0     C24
CONNECT  FAR+1 2H24 s         0     C24
CONNECT  FAR+1 3H24 s         0     C24
CONNECT  FAR+1 1H25 s         0     C25
CONNECT  FAR+1 2H25 s         0     C25
CONNECT  FAR+1 3H25 s         0     C25
CONNECT  FAR+1 1H26 s         0     C26
CONNECT  FAR+1 2H26 s         0     C26
CONNECT  FAR+1 3H26 s         0     C26
CONNECT  FAR+1 1H27 s         0     C27
CONNECT  FAR+1 2H27 s         0     C27
CONNECT  FAR+1 3H27 s         0     C27
CONNECT  FAR+1  C28 s
CONNECT  FAR+1  C29 s
CONNECT  FAR+1  C30 s
CONNECT  FAR+1  C31 s
CONNECT  FAR+1  C32 s

#3.Atom Parameters: Partial Charges and Radii
# Radii(vdw) were collected from http://www.webelements.com/
RADIUS   FAR    C11 1.70
RADIUS   FAR    O11 1.52
RADIUS   FAR    C12 1.70
RADIUS   FAR    C13 1.70
RADIUS   FAR    C14 1.70
RADIUS   FAR    C15 1.70
RADIUS   FAR    C16 1.70
RADIUS   FAR    C17 1.70
RADIUS   FAR    C18 1.70 
RADIUS   FAR    C19 1.70
RADIUS   FAR    C20 1.70
RADIUS   FAR    C21 1.70
RADIUS   FAR    C22 1.70
RADIUS   FAR    C23 1.70
RADIUS   FAR    C24 1.70
RADIUS   FAR    C25 1.70
RADIUS   FAR    C26 1.70
RADIUS   FAR    C27 1.70
RADIUS   FAR    H11 1.20
RADIUS   FAR    HO1 1.20
RADIUS   FAR   1H12 1.20
RADIUS   FAR   2H12 1.20
RADIUS   FAR   1H13 1.20
RADIUS   FAR   2H13 1.20
RADIUS   FAR    H14 1.20
RADIUS   FAR   1H16 1.20
RADIUS   FAR   2H16 1.20
RADIUS   FAR   1H17 1.20
RADIUS   FAR   2H17 1.20
RADIUS   FAR    H18 1.20
RADIUS   FAR   1H20 1.20
RADIUS   FAR   2H20 1.20
RADIUS   FAR   1H21 1.20
RADIUS   FAR   2H21 1.20
RADIUS   FAR    H22 1.20
RADIUS   FAR   1H24 1.20
RADIUS   FAR   2H24 1.20
RADIUS   FAR   3H24 1.20
RADIUS   FAR   1H25 1.20
RADIUS   FAR   2H25 1.20
RADIUS   FAR   3H25 1.20
RADIUS   FAR   1H26 1.20
RADIUS   FAR   2H26 1.20
RADIUS   FAR   3H26 1.20
RADIUS   FAR   1H27 1.20
RADIUS   FAR   2H27 1.20
RADIUS   FAR   3H27 1.20

CHARGE   FAR01  C11  
CHARGE   FAR01  O11  
CHARGE   FAR01  C12  
CHARGE   FAR01  C13  
CHARGE   FAR01  C14  
CHARGE   FAR01  C15  
CHARGE   FAR01  C16  
CHARGE   FAR01  C17  
CHARGE   FAR01  C18  
CHARGE   FAR01  C19  
CHARGE   FAR01  C20  
CHARGE   FAR01  C21  
CHARGE   FAR01  C22  
CHARGE   FAR01  C23  
CHARGE   FAR01  C24  
CHARGE   FAR01  C25  
CHARGE   FAR01  C26  
CHARGE   FAR01  C27  
CHARGE   FAR01  H11  
CHARGE   FAR01  HO1  
CHARGE   FAR01 1H12  
CHARGE   FAR01 2H12  
CHARGE   FAR01 1H13  
CHARGE   FAR01 2H13  
CHARGE   FAR01  H14  
CHARGE   FAR01 1H16  
CHARGE   FAR01 2H16  
CHARGE   FAR01 1H17  
CHARGE   FAR01 2H17  
CHARGE   FAR01  H18  
CHARGE   FAR01 1H20  
CHARGE   FAR01 2H20  
CHARGE   FAR01 1H21  
CHARGE   FAR01 2H21  
CHARGE   FAR01  H22  
CHARGE   FAR01 1H24  
CHARGE   FAR01 2H24  
CHARGE   FAR01 3H24  
CHARGE   FAR01 1H25  
CHARGE   FAR01 2H25  
CHARGE   FAR01 3H25  
CHARGE   FAR01 1H26  
CHARGE   FAR01 2H26  
CHARGE   FAR01 3H26  
CHARGE   FAR01 1H27  
CHARGE   FAR01 2H27  
CHARGE   FAR01 3H27  

CHARGE   FAR+1  C11
CHARGE   FAR+1  O11
CHARGE   FAR+1  C12
CHARGE   FAR+1  C13
CHARGE   FAR+1  C14
CHARGE   FAR+1  C15
CHARGE   FAR+1  C16
CHARGE   FAR+1  C17
CHARGE   FAR+1  C18
CHARGE   FAR+1  C19
CHARGE   FAR+1  C20
CHARGE   FAR+1  C21
CHARGE   FAR+1  C22
CHARGE   FAR+1  C23
CHARGE   FAR+1  C24
CHARGE   FAR+1  C25
CHARGE   FAR+1  C26
CHARGE   FAR+1  C27
CHARGE   FAR+1  H11
CHARGE   FAR+1  HO1
CHARGE   FAR+1 1H12
CHARGE   FAR+1 2H12
CHARGE   FAR+1 1H13
CHARGE   FAR+1 2H13
CHARGE   FAR+1  H14
CHARGE   FAR+1 1H16
CHARGE   FAR+1 2H16
CHARGE   FAR+1 1H17
CHARGE   FAR+1 2H17
CHARGE   FAR+1  H18
CHARGE   FAR+1 1H20
CHARGE   FAR+1 2H20
CHARGE   FAR+1 1H21
CHARGE   FAR+1 2H21
CHARGE   FAR+1  H22
CHARGE   FAR+1 1H24
CHARGE   FAR+1 2H24
CHARGE   FAR+1 3H24
CHARGE   FAR+1 1H25
CHARGE   FAR+1 2H25
CHARGE   FAR+1 3H25
CHARGE   FAR+1 1H26
CHARGE   FAR+1 2H26
CHARGE   FAR+1 3H26
CHARGE   FAR+1 1H27
CHARGE   FAR+1 2H27
CHARGE   FAR+1 3H27

